N-[2-[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]-5-thiophen-2-yl-pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]-5-thiophen-2-yl-pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[6-methyl-4-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]-5-thiophen-2-yl-3-pyrazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-thiophen-2-ylpyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-(5-benzyl-4-keto-6-methyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-piperonylamide Formula: C27H21N5O4S MolecularWeight: 511.55174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)C4=CC5=C(C=C4)OCO5)CC6=CC=CC=C6

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)C4=CC5=C(C=C4)OCO5)CC6=CC=CC=C6

InChI

InChI=1S/C27H21N5O4S/c1-16-19(12-17-6-3-2-4-7-17)26(34)30-27(28-16)32-24(14-20(31-32)23-8-5-11-37-23)29-25(33)18-9-10-21-22(13-18)36-15-35-21/h2-11,13-14H,12,15H2,1H3,(H,29,33)(H,28,30,34)